Geometry & MOs

Info

ID:	339518
PubChem CID:	127261508
Reduced:	N3O3C13H25 (1)
Stoich.:	A3B3C13D25 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-177.56
Dipole, Da:	3.64
IP(EA), eV:	-9.35(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-benzylsulfanyl-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations