Geometry & MOs

Info

ID:	129227
PubChem CID:	51071993
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	491.205636
ΔH_f, kcal/mol:	-17.26
Dipole, Da:	6.21
IP(EA), eV:	-8.75(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-[(3R)-1-benzylpyrrolidin-3-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CS(=O)C

DOS

IR

Vibrations