Geometry & MOs

Info

ID:	187347
PubChem CID:	77562102
Reduced:	O2N9C22H29 (1)
Stoich.:	A2B9C22D29 (1)
Weight, g/mol:	503.22024
ΔH_f, kcal/mol:	23.74
Dipole, Da:	6.4
IP(EA), eV:	-7.95(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

CC(CO)NC(=O)C1CC(NN1)NC2=NC(=NC3=CC=CN32)N4CCCC4C5=CC=CC=N5

DOS

IR

Vibrations