Geometry & MOs

Info

ID:	121473
PubChem CID:	50769568
Reduced:	ClO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	453.999482
ΔH_f, kcal/mol:	2.89
Dipole, Da:	3.85
IP(EA), eV:	-8.52(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC=CC=C4Cl)C

DOS

IR

Vibrations