Geometry & MOs

Info

ID:	242907
PubChem CID:	99214108
Reduced:	SN4O5H18C21 (1)
Stoich.:	AB4C5D18E21 (1)
Weight, g/mol:	487.141321
ΔH_f, kcal/mol:	-20.01
Dipole, Da:	5.45
IP(EA), eV:	-8.19(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-methoxy-2-nitro-4-(1,3-thiazol-4-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OCC4=CSC=N4)OC

DOS

IR

Vibrations