Geometry & MOs

Info

ID:	151984
PubChem CID:	56310819
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	470.198777
ΔH_f, kcal/mol:	-165.63
Dipole, Da:	2.73
IP(EA), eV:	-8.62(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=CC(=C2)C(=O)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations