Geometry & MOs

Info

ID:

435408

PubChem CID:

135191387

Reduced:

N3O5C22H33 (1)

Stoich.:

A3B5C22D33 (1)

Weight, g/mol:

429.189986

ΔHf, kcal/mol:

-222.05

Dipole, Da:

6.41

IP(EA), eV:

 -8.94(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,16R,17R)-18-(cyclopropylmethyl)-2,16-dihydroxy-12-methoxy-10-oxa-5,7,18-triazapentacyclo[9.9.1.01,9.02,17.015,21]henicosa-11,13,15(21)-triene-6,8-dione

Drug info:

PubChemData

Smile

CCCC1(C(N(CCC1(CC(=O)NC(=O)N)C2=C(C=CC(=C2)OC)C(=O)C)C)C)O

DOS

IR

Vibrations