Geometry & MOs

Info

ID:	244369
PubChem CID:	99344319
Reduced:	O2N4C29H34 (1)
Stoich.:	A2B4C29D34 (1)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	-43.79
Dipole, Da:	4.75
IP(EA), eV:	-8.15(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2CC(=O)NC[C@@H](C3CC3)NC(=O)CC4=C(NC5=C4C=C(C=C5)C)C)C

DOS

IR

Vibrations