Geometry & MOs

Info

ID:

416733

PubChem CID:

135090186

Reduced:

SN5O5C33H45 (1)

Stoich.:

AB5C5D33E45 (1)

Weight, g/mol:

691.315203

ΔHf, kcal/mol:

-213.11

Dipole, Da:

3.04

IP(EA), eV:

 -8.69(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,15R)-15-benzyl-3-methyl-6-(2-methylsulfanylethyl)-13-[3-(4-oxoquinazolin-3-yl)propanoyl]-9-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC[C@H]1CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)C(=O)C3=C4CCCCC4=CS3

DOS

IR

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