Geometry & MOs

Info

ID:

421098

PubChem CID:

135115380

Reduced:

O7N8C38H52 (1)

Stoich.:

A7B8C38D52 (1)

Weight, g/mol:

732.305367

ΔHf, kcal/mol:

-212.64

Dipole, Da:

6.17

IP(EA), eV:

 -8.91(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-15-(furan-2-carbonyl)-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-19-(2-methylpropyl)-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)NCCCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)CCCC3=NC(=NO3)C4=CC=NC=C4

DOS

IR

Vibrations