Geometry & MOs

Info

ID:	149647
PubChem CID:	53789321
Reduced:	O2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	870.27588
ΔH_f, kcal/mol:	-114.08
Dipole, Da:	1.3
IP(EA), eV:	-9.62(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]amino]ethyl 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate

Drug info:

PubChemData

Smile

CCC(=O)OC1C2CC3CC(C2C)CC1C3=C

DOS

IR

Vibrations