Geometry & MOs

Info

ID:

417491

PubChem CID:

135095552

Reduced:

SN6O7C37H50 (1)

Stoich.:

AB6C7D37E50 (1)

Weight, g/mol:

601.276115

ΔHf, kcal/mol:

-299.92

Dipole, Da:

7.75

IP(EA), eV:

 -9.33(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-20-methoxy-11-propan-2-yl-15-[4-(tetrazol-1-ylmethyl)benzoyl]-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3=CSC4=C3CCCC4)CC5=CC=CC=C5)[C@@H](C)O

DOS

IR

Vibrations