Geometry & MOs

Info

ID:	139072
PubChem CID:	52468392
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	362.13972
ΔH_f, kcal/mol:	-16.34
Dipole, Da:	6.87
IP(EA), eV:	-8.63(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-acetamido-3-(4-chlorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC2=NC=C(C=C2)NC(=O)NCC=C)C

DOS

IR

Vibrations