Geometry & MOs

Info

ID:	268435
PubChem CID:	103599349
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	416.197904
ΔH_f, kcal/mol:	-53.78
Dipole, Da:	5.24
IP(EA), eV:	-9.17(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoylamino]-2,4-dimethylpentanamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N(C)C)CC3=CC=CC=C3

DOS

IR

Vibrations