Geometry & MOs

Info

ID:	130899
PubChem CID:	51123707
Reduced:	ClSO2N3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	365.152161
ΔH_f, kcal/mol:	-45.86
Dipole, Da:	2.86
IP(EA), eV:	-9.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-2-oxoethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=NC=C(C=C2)Cl)C(=O)CC3=CC=CS3

DOS

IR

Vibrations