Geometry & MOs

Info

ID:

186754

PubChem CID:

77478986

Reduced:

BrCl2O6N7C35H48 (1)

Stoich.:

AB2C6D7E35F48 (1)

Weight, g/mol:

748.328805

ΔHf, kcal/mol:

-242.02

Dipole, Da:

7.61

IP(EA), eV:

 -9.01(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[18,18-dimethyl-3-[[3-methyl-1-[methyl(thiophen-2-ylsulfonyl)amino]but-3-en-2-yl]carbamoylamino]-2,15-dioxo-5-oxa-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxo-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

CC1(CN(C(=O)N1CCCCNC(=O)CN2CCN(CCN(CCN(CC2)C(=O)O)CC(=O)O)C)C3=CC(=CC(=C3)Cl)Cl)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations