Geometry & MOs

Info

ID:	364348
PubChem CID:	127315488
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	-88.72
Dipole, Da:	2.85
IP(EA), eV:	-8.72(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3H-benzo[e]indole-2-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CN2C=NC3=CC=CC=C3C2=O)C(=O)N4CCSCC4

DOS

IR

Vibrations