Geometry & MOs

Info

ID:	85849
PubChem CID:	49879728
Reduced:	O2N5H19C21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	542.021846
ΔH_f, kcal/mol:	27.62
Dipole, Da:	9.17
IP(EA), eV:	-8.0(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazol-4-yl]phenyl]-4-methoxy-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=NN2C(=O)C1)NC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations