Geometry & MOs

Info

ID:	152088
PubChem CID:	56310945
Reduced:	SN4O5C22H28 (1)
Stoich.:	AB4C5D22E28 (1)
Weight, g/mol:	416.151826
ΔH_f, kcal/mol:	-163.11
Dipole, Da:	3.83
IP(EA), eV:	-8.75(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations