Geometry & MOs

Info

ID:	327587
PubChem CID:	126690417
Reduced:	NC17H27 (1)
Stoich.:	AB17C27 (1)
Weight, g/mol:	604.153863
ΔH_f, kcal/mol:	-8.93
Dipole, Da:	2.44
IP(EA), eV:	-8.42(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[N-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-N'-methylcarbamimidoyl]-4-(methylideneamino)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C(=C)NC)CC(C)(C)C

DOS

IR

Vibrations