Geometry & MOs

Info

ID:	379662
PubChem CID:	134455286
Reduced:	BrPN3O8C11H17 (1)
Stoich.:	ABC3D8E11F17 (1)
Weight, g/mol:	491.143882
ΔH_f, kcal/mol:	-389.95
Dipole, Da:	4.45
IP(EA), eV:	-9.59(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)OC(=O)CCN(CCNC(=O)CBr)P(=O)(O)O

DOS

IR

Vibrations