Geometry & MOs

Info

ID:

414998

PubChem CID:

135087978

Reduced:

S2O5N6C30H40 (1)

Stoich.:

A2B5C6D30E40 (1)

Weight, g/mol:

571.290703

ΔHf, kcal/mol:

-120.28

Dipole, Da:

3.82

IP(EA), eV:

 -8.8(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-20-methoxy-15-[(2-phenylpyrazol-3-yl)methyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)OCCCN3C=C(CN(CCCNC(=O)[C@@H](NC2=O)CCSC)CC4=CC=C(C=C4)S(=O)(=O)C)N=N3

DOS

IR

Vibrations