Geometry & MOs

Info

ID:	49292
PubChem CID:	11532669
Reduced:	SO3N4H22C25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	458.141262
ΔH_f, kcal/mol:	-14.27
Dipole, Da:	4.29
IP(EA), eV:	-8.18(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[8-(4-methylbenzoyl)imidazo[1,5-a]pyrimidin-4-yl]phenyl]-N-prop-2-ynylethanesulfonamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)N=C2N(C(=O)/C(=C/N3CCC4=CC=CC=C43)/S2)CC5=CC=CO5

DOS

IR

Vibrations