Geometry & MOs

Info

ID:

188260

PubChem CID:

77690810

Reduced:

O3N4C24H28 (1)

Stoich.:

A3B4C24D28 (1)

Weight, g/mol:

827.400647

ΔHf, kcal/mol:

-73.59

Dipole, Da:

2.92

IP(EA), eV:

 -9.08(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-tert-butyl-2-[17-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=C(C=C2)NC(=O)C3C4=C(CN3)C=NC=C4)C(=O)C5CCOC5

DOS

IR

Vibrations