Geometry & MOs

Info

ID:	299915
PubChem CID:	117931138
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	543.332174
ΔH_f, kcal/mol:	12.63
Dipole, Da:	4.08
IP(EA), eV:	-8.08(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3E,5E)-6-amino-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C2CCCCC2=C(C=C1)N(CSCC(=O)N=O)/C=C\N

DOS

IR

Vibrations