Geometry & MOs

Info

ID:	403779
PubChem CID:	135061794
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	424.145678
ΔH_f, kcal/mol:	-9.46
Dipole, Da:	3.89
IP(EA), eV:	-9.14(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=C1)/C=C/C(=O)N=[N+]=[N-])CC2=CC=CC=C2)C

DOS

IR

Vibrations