Geometry & MOs

Info

ID:	188869
PubChem CID:	77777027
Reduced:	S2O4N5H21C22 (1)
Stoich.:	A2B4C5D21E22 (1)
Weight, g/mol:	394.181191
ΔH_f, kcal/mol:	-62.34
Dipole, Da:	7.01
IP(EA), eV:	-8.83(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-benzyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)NC3(CCNC3=O)CC4=CC5=C(N=CN=C5S4)N

DOS

IR

Vibrations