Geometry & MOs

Info

ID:	178222
PubChem CID:	76298054
Reduced:	SO3N4C22H30 (1)
Stoich.:	AB3C4D22E30 (1)
Weight, g/mol:	451.03137
ΔH_f, kcal/mol:	-110.6
Dipole, Da:	2.75
IP(EA), eV:	-8.4(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N'-[3-(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)propanoyl]-1-methylpyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(SC2C1C(=O)NC(N2)CCC(=O)NCC3=CC=C(C=C3)N4CCOCC4)C

DOS

IR

Vibrations