Geometry & MOs

Info

ID:	431007
PubChem CID:	135171077
Reduced:	FN4O4C29H35 (1)
Stoich.:	AB4C4D29E35 (1)
Weight, g/mol:	443.047333
ΔH_f, kcal/mol:	-184.51
Dipole, Da:	3.67
IP(EA), eV:	-9.18(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloroethyl 7-[(5-chloro-2-methoxyphenyl)sulfanylamino]-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylate

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

CCN([C@@H]1C[C@@H](COC1)N([C@@H]2CCC3=C2C=CC(=C3)F)C(=O)OC(C)(C)C)C(=O)C4=NC5=CC=CC=C5N4

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

CCN([C@@H]1C[C@@H](COC1)N([C@@H]2CCC3=C2C=CC(=C3)F)C(=O)OC(C)(C)C)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):