Geometry & MOs

Info

ID:	340093
PubChem CID:	127262102
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	456.200885
ΔH_f, kcal/mol:	-162.14
Dipole, Da:	3.77
IP(EA), eV:	-9.58(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-(N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-nitroanilino)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N)N(CC=C)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC

DOS

IR

Vibrations