Geometry & MOs

Info

ID:

327918

PubChem CID:

126691335

Reduced:

N6C23H28 (1)

Stoich.:

A6B23C28 (1)

Weight, g/mol:

721.395168

ΔHf, kcal/mol:

129.05

Dipole, Da:

6.2

IP(EA), eV:

 -8.68(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[[(2S)-butan-2-yl]-[[17-[2-[[[(2S)-butan-2-yl]-(3-methylpentanoyl)amino]methyl]-1H-imidazol-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]methyl]amino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

C/C=C(/C)\C(=NCCCC1=NC2=C(N1C)C=CC3=C2C=CC=N3)N(C(=C)C)N=C

DOS

IR

Vibrations