Geometry & MOs

Info

ID:	339829
PubChem CID:	127261838
Reduced:	N3O4C14H23 (1)
Stoich.:	A3B4C14D23 (1)
Weight, g/mol:	337.163771
ΔH_f, kcal/mol:	-171.71
Dipole, Da:	4.23
IP(EA), eV:	-9.96(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2R)-1-[[(2S)-1-amino-1-oxopropan-2-yl]-(2-hydroxyethyl)amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations