Geometry & MOs

Info

ID:	447190
PubChem CID:	135281056
Reduced:	O2N7C25H33 (1)
Stoich.:	A2B7C25D33 (1)
Weight, g/mol:	420.140925
ΔH_f, kcal/mol:	-8.79
Dipole, Da:	3.93
IP(EA), eV:	-8.45(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4-fluorophenyl)-4-[2-(3,3-difluorobutan-2-ylamino)-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN2C(=CC(=N2)NC3=NC=CC(=N3)C4=CC(=C(C=C4)CN(C(=O)O)C(C)(C)C)C)C1

DOS

IR

Vibrations