Geometry & MOs

Info

ID:

328250

PubChem CID:

126700374

Reduced:

ClO5H23C26 (1)

Stoich.:

AB5C23D26 (1)

Weight, g/mol:

1063.448965

ΔHf, kcal/mol:

-147.88

Dipole, Da:

0.76

IP(EA), eV:

 -9.1(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[(11R,12R,21S,22S)-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-[4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoylamino]pentanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC(=O)O)CCOC2=CC=C(C=C2)/C=C/C(=O)C3=C(C=CC(=C3)Cl)O

DOS

IR

Vibrations