Geometry & MOs

Info

ID:	187294
PubChem CID:	77556309
Reduced:	SCl2N3O5H25C26 (1)
Stoich.:	AB2C3D5E25F26 (1)
Weight, g/mol:	291.11384
ΔH_f, kcal/mol:	-144.12
Dipole, Da:	9.43
IP(EA), eV:	-9.48(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[[3-(2-methylpropanoyl)pyrrolidin-3-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl)S(=O)(=O)C4=CN=CC=C4

DOS

IR

Vibrations