Geometry & MOs

Info

ID:	156577
PubChem CID:	56371222
Reduced:	O2N5C30H31 (1)
Stoich.:	A2B5C30D31 (1)
Weight, g/mol:	480.273656
ΔH_f, kcal/mol:	15.3
Dipole, Da:	3.97
IP(EA), eV:	-8.1(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-3-methyl-1-oxo-1-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations