Geometry & MOs

Info

ID:	140495
PubChem CID:	52710005
Reduced:	SN3O3C24H25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	413.08512
ΔH_f, kcal/mol:	-59.12
Dipole, Da:	6.21
IP(EA), eV:	-8.6(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-2,5-dimethylpyrrole-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCCC(=O)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations