Geometry & MOs

Info

ID:	43397
PubChem CID:	10321231
Reduced:	N2O7C23H28 (1)
Stoich.:	A2B7C23D28 (1)
Weight, g/mol:	444.189651
ΔH_f, kcal/mol:	-221.73
Dipole, Da:	8.86
IP(EA), eV:	-9.07(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-nitro-2-phenylmethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CC(C(=O)O)NC(=O)OC(C)(C)C)C)OCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations