Geometry & MOs

Info

ID:	61373
PubChem CID:	26708704
Reduced:	ClS2N3O6H12C18 (1)
Stoich.:	AB2C3D6E12F18 (1)
Weight, g/mol:	474.066777
ΔH_f, kcal/mol:	-79.02
Dipole, Da:	8.27
IP(EA), eV:	-9.68(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

C1[C@@H](OC2=C1C=C(C=C2)Cl)C(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations