Geometry & MOs

Info

ID:

218993

PubChem CID:

85090311

Reduced:

NSO2H17C18 (1)

Stoich.:

ABC2D17E18 (1)

Weight, g/mol:

473.205456

ΔHf, kcal/mol:

-37.16

Dipole, Da:

3.43

IP(EA), eV:

 -8.68(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12,14-dimethyl-N,N-di(propan-2-yl)-13-sulfanylidene-12,14-diaza-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)SN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations