Geometry & MOs

Info

ID:	196232
PubChem CID:	78799600
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	376.142307
ΔH_f, kcal/mol:	-107.76
Dipole, Da:	5.1
IP(EA), eV:	-8.67(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)NCCC3=CC(=C(C=C3)O)O

DOS

IR

Vibrations