Geometry & MOs

Info

ID:	43406
PubChem CID:	10321246
Reduced:	SN2O3H24C26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	444.161997
ΔH_f, kcal/mol:	-43.12
Dipole, Da:	9.55
IP(EA), eV:	-9.07(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-benzylsulfanyl-5-methylpyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N)S(=O)(=O)C

DOS

IR

Vibrations