Geometry & MOs

Info

ID:

328335

PubChem CID:

126700739

Reduced:

O4N7C29H35 (1)

Stoich.:

A4B7C29D35 (1)

Weight, g/mol:

901.387122

ΔHf, kcal/mol:

-65.73

Dipole, Da:

4.86

IP(EA), eV:

 -9.04(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[(11S,12S,21R,22R)-16-acetyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoylamino]-2-[(3-methyl-4-oxoimidazo[2,1-d][1,2,3,5]tetrazine-7-carbonyl)amino]pentanoic acid

Drug info:

PubChemData

Smile

C=C(CC\1CCCCC/C=C1)[C@@H](CCC(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N

DOS

IR

Vibrations