Geometry & MOs

Info

ID:

175940

PubChem CID:

75970489

Reduced:

O12N13C52H92 (2)

Stoich.:

A12B13C52D92 (2)

Weight, g/mol:

607.215067

ΔHf, kcal/mol:

-1313.25

Dipole, Da:

11.04

IP(EA), eV:

 -8.62(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,6-dichloropyridin-4-yl)-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-bicyclo[4.1.0]heptanyl]-1-[(1-methylsulfonylpiperidin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(C(C)CC)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C(C)N

DOS

IR

Vibrations