Geometry & MOs

Info

ID:

46979

PubChem CID:

10528744

Reduced:

OC6H8 (5)

Stoich.:

AB6C8 (5)

Weight, g/mol:

480.244664

ΔHf, kcal/mol:

-195.77

Dipole, Da:

8.29

IP(EA), eV:

 -9.4(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,9R,17R)-12-methoxy-5,18-dimethyl-N,N-di(propan-2-yl)-10-oxa-7-thia-18-azahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaene-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C1=CC=C(C=C1)COCC2(CCCO2)COCC3=CC=C(C=C3)C(=O)C(C)(C)C

DOS

IR

Vibrations