Geometry & MOs

Info

ID:	144535
PubChem CID:	53383090
Reduced:	SN3O5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	435.128649
ΔH_f, kcal/mol:	-163.05
Dipole, Da:	6.41
IP(EA), eV:	-8.99(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-methyl-4-methylsulfonyl-6-oxo-1-(thiophen-2-ylmethyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2(CN(CC(=O)N2CC3=CC=CO3)S(=O)(=O)C)C

DOS

IR

Vibrations