Geometry & MOs

Info

ID:	394848
PubChem CID:	135023942
Reduced:	NSO2C23H25 (1)
Stoich.:	ABC2D23E25 (1)
Weight, g/mol:	593.244724
ΔH_f, kcal/mol:	-43.54
Dipole, Da:	1.44
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylsulfanylphenyl)-1,3-bis(3,4,5-trimethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2C3CCC(C3)C2C(=O)NC4=CC=CC=C4SC

DOS

IR

Vibrations