Geometry & MOs

Info

ID:	151652
PubChem CID:	56260992
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	461.96672
ΔH_f, kcal/mol:	51.12
Dipole, Da:	2.4
IP(EA), eV:	-8.54(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[bis(methylsulfonyl)amino]-3-bromophenyl]-2-methylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=C(C=NN2C)C(=O)NCCC3=CC=C(C=C3)OCC#C)C

DOS

IR

Vibrations