Geometry & MOs

Info

ID:

302280

PubChem CID:

124361030

Reduced:

N6O7C22H30 (1)

Stoich.:

A6B7C22D30 (1)

Weight, g/mol:

500.278741

ΔHf, kcal/mol:

-312.51

Dipole, Da:

11.19

IP(EA), eV:

 -9.77(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,11R)-N-[(2R)-1-(hexylamino)-3-methyl-1-oxobutan-2-yl]-9-oxo-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14,16,18-heptaene-11-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@H](CCCNC(=O)N)C(=O)O)NC(=O)CN1C(=O)C2=CC=CC=C2NC1=O

DOS

IR

Vibrations