Geometry & MOs

Info

ID:	325108
PubChem CID:	126680886
Reduced:	ClO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	544.253314
ΔH_f, kcal/mol:	-160.69
Dipole, Da:	2.89
IP(EA), eV:	-8.95(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(ethoxymethyl)-2-[(2-nitrophenyl)methoxycarbonylamino]phenyl]methyl N-(6-acetamidohexyl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)CC1=CC2=CC(=C(C=C2OC1=O)OCOC)Cl

DOS

IR

Vibrations