Geometry & MOs

Info

ID:	155808
PubChem CID:	56367641
Reduced:	ClF2N2S2O3C18H19 (1)
Stoich.:	AB2C2D2E3F18G19 (1)
Weight, g/mol:	458.099096
ΔH_f, kcal/mol:	-191.47
Dipole, Da:	4.19
IP(EA), eV:	-9.53(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-3-(6-methyl-2-morpholin-4-yl-4-oxo-1H-pyrimidin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C(=CC=C2)Cl)SC(F)F

DOS

IR

Vibrations