Geometry & MOs

Info

ID:

191330

PubChem CID:

78132466

Reduced:

SN10O14C45H66 (1)

Stoich.:

AB10C14D45E66 (1)

Weight, g/mol:

533.15656

ΔHf, kcal/mol:

-654.31

Dipole, Da:

5.04

IP(EA), eV:

 -8.9(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-bromophenyl)-4-methyl-2-[4-[2-(3-methylpyrrolidin-1-yl)propoxy]phenyl]-2H-chromen-6-ol

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CS)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(C)C)NC(=O)C(CO)N

DOS

IR

Vibrations