Geometry & MOs

Info

ID:	65401
PubChem CID:	29214860
Reduced:	OS2N3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	505.17752
ΔH_f, kcal/mol:	-16.35
Dipole, Da:	9.76
IP(EA), eV:	-8.31(-1.07)
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-(4-chloro-3-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)C1=CC2=C(S1)CCCC2

DOS

IR

Vibrations