Geometry & MOs

Info

ID:	191137
PubChem CID:	78109585
Reduced:	ON2C41H76 (1)
Stoich.:	AB2C41D76 (1)
Weight, g/mol:	437.17329
ΔH_f, kcal/mol:	-137.14
Dipole, Da:	3.41
IP(EA), eV:	-9.21(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[5-carbamoyl-4-(3-methylbutan-2-ylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl] ethanesulfonate

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCCCCCCCCC(CCCCCCCCC=CCC=CCCCCC)NC(=O)CN(C)C

DOS

IR

Vibrations