Geometry & MOs

Info

ID:	339809
PubChem CID:	127261818
Reduced:	N3O4C15H17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	286.200491
ΔH_f, kcal/mol:	-137.17
Dipole, Da:	6.48
IP(EA), eV:	-9.46(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]-(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)N([C@@H](C)C(=O)N)C(=O)CN

DOS

IR

Vibrations