Geometry & MOs

Info

ID:

414963

PubChem CID:

135087943

Reduced:

N7O8C42H57 (1)

Stoich.:

A7B8C42D57 (1)

Weight, g/mol:

799.336333

ΔHf, kcal/mol:

-326.44

Dipole, Da:

6.86

IP(EA), eV:

 -8.49(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-15-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)[C@H]5CCCO5)C(C)C

DOS

IR

Vibrations