Geometry & MOs

Info

ID:	221310
PubChem CID:	85267593
Reduced:	N2O3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-88.53
Dipole, Da:	8.82
IP(EA), eV:	-9.37(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-azido-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CC(C2C(C1)NC(NC2=O)C3=CC=C(C=C3)C=CCCC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations