Geometry & MOs

Info

ID:	164031
PubChem CID:	74381573
Reduced:	O2F3N5H24C25 (1)
Stoich.:	A2B3C5D24E25 (1)
Weight, g/mol:	499.158659
ΔH_f, kcal/mol:	-87.43
Dipole, Da:	6.07
IP(EA), eV:	-8.24(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[C-(2-chlorophenyl)-N-methoxycarbonimidoyl]-7-(2,6-difluorophenyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-methylbutan-2-ol

Drug info:

PubChemData

Smile

CC(C(C)(C)O)NC1=NC=C2C=C(N(C2=N1)C3=C(C=CC=C3F)F)C(=NOC)C4=CC=C(C=C4)F

DOS

IR

Vibrations