Geometry & MOs

Info

ID:

186643

PubChem CID:

77460452

Reduced:

N5O5C28H39 (1)

Stoich.:

A5B5C28D39 (1)

Weight, g/mol:

802.50267

ΔHf, kcal/mol:

-197.75

Dipole, Da:

6.51

IP(EA), eV:

 -8.55(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-7-[2-[[3,3-dimethyl-2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]butanoyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide

Drug info:

PubChemData

Smile

CC(C(=C)NC1CCCCC2CCC(N2C1=O)C(=O)NCC3=CC(=CC=C3)C(=O)NC4CCOC4=O)NC

DOS

IR

Vibrations