Geometry & MOs

Info

ID:	219440
PubChem CID:	85148670
Reduced:	ClSO2N6C25H29 (1)
Stoich.:	ABC2D6E25F29 (1)
Weight, g/mol:	509.179815
ΔH_f, kcal/mol:	64.15
Dipole, Da:	5.66
IP(EA), eV:	-8.91(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,4-dihydroxy-2,8-dimethyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,3-dihydropyrrolo[3,2-e]indole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=CCCCC2NNNN2)C3=CC=C(C=C3)CCNS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations