Geometry & MOs

Info

ID:

443552

PubChem CID:

135259305

Reduced:

BrN2O4C18H23 (1)

Stoich.:

AB2C4D18E23 (1)

Weight, g/mol:

1252.536214

ΔHf, kcal/mol:

-182.12

Dipole, Da:

3.67

IP(EA), eV:

 -9.27(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[[5-[[4-[[6-amino-2-[[2-[3-(1-hydroxy-2-methylpropan-2-yl)oxypropanoylamino]-3-phenylpropanoyl]amino]hexanoyl]amino]phenyl]methoxycarbonyl]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-sulfonic acid

Drug info:

PubChemData

Smile

CC1=C2C(=O)N(C3(N2C(=O)C(=C1)Br)CCCCC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations