Geometry & MOs

Info

ID:

309680

PubChem CID:

126554323

Reduced:

N2O3C38H40 (1)

Stoich.:

A2B3C38D40 (1)

Weight, g/mol:

429.189986

ΔHf, kcal/mol:

-70.47

Dipole, Da:

10.03

IP(EA), eV:

 -8.28(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,10R,17R,18R)-19-(cyclopropylmethyl)-2,13,17-trihydroxy-11-oxa-6,8,19-triazapentacyclo[10.9.1.01,10.02,18.016,22]docosa-12,14,16(22)-triene-7,9-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=C(C=C2)CN3C(=C(C4=C3C=CC(=C4)C(=O)N[C@@H](C)C5=CC=C(C=C5)C(C)(C)C)C)C)C(=O)O

DOS

IR

Vibrations