Geometry & MOs

Info

ID:	436226
PubChem CID:	135195441
Reduced:	ClSO2N5C22H30 (1)
Stoich.:	ABC2D5E22F30 (1)
Weight, g/mol:	332.078851
ΔH_f, kcal/mol:	-7.36
Dipole, Da:	9.47
IP(EA), eV:	-7.57(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-2-(4-methoxy-1,4-dihydropyrimidin-6-yl)phenyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=C(CN1C(=O)NC3=CC(=CC=C3)Cl)C(=NN2)NC(=O)C4(CCC4)S(C)(C)C)C

DOS

IR

Vibrations