Geometry & MOs

Info

ID:	152502
PubChem CID:	56311443
Reduced:	ClN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	430.167477
ΔH_f, kcal/mol:	-95.09
Dipole, Da:	4.59
IP(EA), eV:	-8.58(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=CC=CC=C2Cl)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations