Geometry & MOs

Info

ID:	123604
PubChem CID:	50855313
Reduced:	N3O3H17C19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	395.141596
ΔH_f, kcal/mol:	-11.11
Dipole, Da:	5.88
IP(EA), eV:	-8.51(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=CC(=C2)/C=N/NC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations