Geometry & MOs

Info

ID:

424800

PubChem CID:

135123969

Reduced:

ClFSN4O4H22C23 (1)

Stoich.:

ABCD4E4F22G23 (1)

Weight, g/mol:

577.30529

ΔHf, kcal/mol:

-123.74

Dipole, Da:

2.99

IP(EA), eV:

 -8.74(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]-2,2-dimethyl-N-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

C1CCC2(C1)C3=C(C(=CC(=C3)NS(=O)(=O)C4=C(C=C(C=C4)Cl)F)OCCN5C=CC=N5)NC2=O

DOS

IR

Vibrations