Geometry & MOs

Info

ID:

65375

PubChem CID:

29214814

Reduced:

SO3N4C16H24 (1)

Stoich.:

AB3C4D16E24 (1)

Weight, g/mol:

497.268528

ΔHf, kcal/mol:

-104.66

Dipole, Da:

9.04

IP(EA), eV:

 -8.34(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-amino-5-[(2Z)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(2R)-butan-2-yl]phenyl]propanamide

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O

DOS

IR

Vibrations