Geometry & MOs

Info

ID:

329203

PubChem CID:

126731968

Reduced:

N6O8C41H62 (1)

Stoich.:

A6B8C41D62 (1)

Weight, g/mol:

903.30284

ΔHf, kcal/mol:

-350.02

Dipole, Da:

6.6

IP(EA), eV:

 -8.88(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,11S,14S)-14-[[(2S)-6-amino-2-[[4-(4-chlorophenyl)benzoyl]amino]hexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxo-4-sulfamoylbutan-2-yl]-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(C=C2)OCCN)C3=C(C=CC(=C3)C[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)O)OCCN

DOS

IR

Vibrations