Geometry & MOs

Info

ID:	371543
PubChem CID:	127347011
Reduced:	S2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-76.93
Dipole, Da:	4.49
IP(EA), eV:	-8.7(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)carbamoyl]-2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1CS(=O)(=O)CCN1CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C

DOS

IR

Vibrations