Geometry & MOs

Info

ID:	10304
PubChem CID:	100087
Reduced:	N2O5C16H22 (1)
Stoich.:	A2B5C16D22 (1)
Weight, g/mol:	322.152872
ΔH_f, kcal/mol:	-214.32
Dipole, Da:	3.89
IP(EA), eV:	-9.66(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC(=O)O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations