Geometry & MOs

Info

ID:	149975
PubChem CID:	53789658
Reduced:	N5O6C26H33 (1)
Stoich.:	A5B6C26D33 (1)
Weight, g/mol:	542.044554
ΔH_f, kcal/mol:	-194.23
Dipole, Da:	4.12
IP(EA), eV:	-8.65(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-cyano-6-[(3,4-dichlorophenyl)sulfinylmethyl]-2-methyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)COC1CCN(CC1)C(=O)[C@H](CC2=CC=C(C=C2)OC)NC(=O)C3=NC=C(C=C3)C(=N)N

DOS

IR

Vibrations