Geometry & MOs

Info

ID:	153077
PubChem CID:	56312206
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	-82.98
Dipole, Da:	2.02
IP(EA), eV:	-8.63(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations