Geometry & MOs

Info

ID:	244370
PubChem CID:	99344321
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	-105.93
Dipole, Da:	6.07
IP(EA), eV:	-9.58(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2S)-2-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-cyclopropylethyl]amino]-2-oxoethyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC[C@@H](C1CC1)NC(=O)CN(C)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations