Geometry & MOs

Info

ID:	130949
PubChem CID:	51133935
Reduced:	FOSN3H16C18 (1)
Stoich.:	ABCD3E16F18 (1)
Weight, g/mol:	465.08187
ΔH_f, kcal/mol:	5.73
Dipole, Da:	1.95
IP(EA), eV:	-9.03(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-2-[[2-[3-(4-chlorophenyl)pentan-3-ylamino]acetyl]amino]acetamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC=C2)C(=O)CN3C=CC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations