Geometry & MOs

Info

ID:	167382
PubChem CID:	74818279
Reduced:	ClSO2N3C20H24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	433.217698
ΔH_f, kcal/mol:	-39.97
Dipole, Da:	6.37
IP(EA), eV:	-8.89(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)phenyl]ethylcarbamoyl]cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCC(=O)N=C2C=CC3=NC(=O)C4=C(C3=C2)CCSC4.Cl

DOS

IR

Vibrations