Geometry & MOs

Info

ID:	220174
PubChem CID:	85165326
Reduced:	IN3O3S3C27H28 (1)
Stoich.:	AB3C3D3E27F28 (1)
Weight, g/mol:	665.262482
ΔH_f, kcal/mol:	-33.12
Dipole, Da:	12.74
IP(EA), eV:	-7.73(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-benzyl 2-O-methyl 7-(2-acetyloxyethoxy)-4-[2,3-bis(phenylmethoxy)propyl]-1H-indole-2,5-dicarboxylate

Drug info:

PubChemData

Smile

CCN1CCSC1=CC=C2C(=O)[N+](=C(S2)C=C3N(C4=C(S3)C5=CC=CC=C5C=C4)CCC(=O)O)CC.[I-]

DOS

IR

Vibrations