Geometry & MOs

Info

ID:	391075
PubChem CID:	135002653
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	364.163436
ΔH_f, kcal/mol:	-29.64
Dipole, Da:	1.12
IP(EA), eV:	-8.76(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[2-acetyloxy-3-(benzylamino)-3-oxopropanoyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C[C@@H]([C@H](CC(=N2)OC)C3=CC=CO3)NC(C)(C)C

DOS

IR

Vibrations