Geometry & MOs

Info

ID:	65395
PubChem CID:	29214852
Reduced:	OSN2C9H14 (2)
Stoich.:	ABC2D9E14 (2)
Weight, g/mol:	501.227057
ΔH_f, kcal/mol:	-52.9
Dipole, Da:	7.92
IP(EA), eV:	-8.37(-0.82)
Spin(S_z, 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-(3,5-dimethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations