Geometry & MOs

Info

ID:	196882
PubChem CID:	78889159
Reduced:	SO3N4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	367.116604
ΔH_f, kcal/mol:	-35.7
Dipole, Da:	7.9
IP(EA), eV:	-8.5(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(difluoromethoxy)phenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=CC=CC=C2NC(=O)CC3=CSC(=N3)N4CCNC4=O

DOS

IR

Vibrations