Geometry & MOs

Info

ID:	310562
PubChem CID:	126582176
Reduced:	O2N6C29H36 (1)
Stoich.:	A2B6C29D36 (1)
Weight, g/mol:	430.127503
ΔH_f, kcal/mol:	-42.16
Dipole, Da:	3.42
IP(EA), eV:	-8.81(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(difluoromethyl)-N-[4-methyl-1-[(2R)-1-prop-2-enoylpyrrolidin-2-yl]benzimidazol-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)N2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(N=C4N)C)CC(=O)O)N5CCC(CC5)(C)C

DOS

IR

Vibrations