Geometry & MOs

Info

ID:	339895
PubChem CID:	127261904
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	299.220892
ΔH_f, kcal/mol:	-127.86
Dipole, Da:	2.72
IP(EA), eV:	-9.4(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N,4-dimethylpentanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)/C=C/C2=CC=CO2

DOS

IR

Vibrations