Geometry & MOs

Info

ID:	435425
PubChem CID:	135191442
Reduced:	FO2N4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	436.142993
ΔH_f, kcal/mol:	-95.28
Dipole, Da:	6.46
IP(EA), eV:	-8.22(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[[(E,4E)-4-(5-methylidene-1H-pyrazol-4-ylidene)but-2-en-2-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1NC(=O)C2CCCN(C2)C)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=O

DOS

IR

Vibrations