Geometry & MOs

Info

ID:

423027

PubChem CID:

135118796

Reduced:

O2N5C19H23 (1)

Stoich.:

A2B5C19D23 (1)

Weight, g/mol:

738.31439

ΔHf, kcal/mol:

39.15

Dipole, Da:

2.95

IP(EA), eV:

 -9.14(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(9S,12S,15R)-12-benzyl-24-methoxy-4,10,13,16-tetraoxo-15-propan-2-yl-2-oxa-5,11,14,17-tetrazabicyclo[19.3.1]pentacosa-1(24),21(25),22-trien-9-yl]-3-(3-chloro-1,2-oxazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C2=NC(=NC=C2)N3C[C@@H]4COC[C@H](C3)N(C4=O)C)C

DOS

IR

Vibrations