Geometry & MOs

Info

ID:

164605

PubChem CID:

74424858

Reduced:

N10O17C42H66 (1)

Stoich.:

A10B17C42D66 (1)

Weight, g/mol:

401.134871

ΔHf, kcal/mol:

-807.71

Dipole, Da:

10.01

IP(EA), eV:

 -9.4(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[6-(tetrazol-1-yl)pyridin-3-yl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CO)N

DOS

IR

Vibrations