Geometry & MOs

Info

ID:	380537
PubChem CID:	134971018
Reduced:	NO2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	390.144038
ΔH_f, kcal/mol:	-54.72
Dipole, Da:	3.01
IP(EA), eV:	-8.77(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-(benzotriazol-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(CCN(C)CC1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations