Geometry & MOs

Info

ID:	33808
PubChem CID:	7888228
Reduced:	OS2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	390.157957
ΔH_f, kcal/mol:	11.82
Dipole, Da:	4.03
IP(EA), eV:	-8.57(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC(=NC3=C2C4=C(S3)CCC4)C

DOS

IR

Vibrations