Geometry & MOs

Info

ID:	441483
PubChem CID:	135235296
Reduced:	SC16H22 (1)
Stoich.:	AB16C22 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-15.94
Dipole, Da:	2.36
IP(EA), eV:	-8.28(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[[2-(N-benzylanilino)acetyl]amino]phenyl]ethyl]-2-formamidoacetamide

Drug info:

PubChemData

Smile

CC1CC(C(C2C1SC3=CC=CC=C23)C)(C)C

DOS

IR

Vibrations