Geometry & MOs

Info

ID:	47259
PubChem CID:	10530995
Reduced:	BrFO5N8C21H22 (1)
Stoich.:	ABC5D8E21F22 (1)
Weight, g/mol:	564.143007
ΔH_f, kcal/mol:	-160.07
Dipole, Da:	4.35
IP(EA), eV:	-8.92(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2-methyl-6-[2-(1-methyl-4H-pyridine-3-carbonyl)oxyethoxymethyl]-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC(=O)[C@H](C[C@H](C(=O)OC)F)NC(=O)C1=CC(=C(C=C1)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N)Br

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC(=O)[C@H](C[C@H](C(=O)OC)F)NC(=O)C1=CC(=C(C=C1)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N)Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):