Geometry & MOs

Info

ID:	339891
PubChem CID:	127261900
Reduced:	N2O2C9H14 (2)
Stoich.:	A2B2C9D14 (2)
Weight, g/mol:	315.215806
ΔH_f, kcal/mol:	-108.92
Dipole, Da:	7.51
IP(EA), eV:	-9.95(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](CC(C)C)C(=O)N)N

DOS

IR

Vibrations