Geometry & MOs

Info

ID:	307151
PubChem CID:	125275495
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	395.141596
ΔH_f, kcal/mol:	7.61
Dipole, Da:	8.01
IP(EA), eV:	-9.25(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-3,5-dimethyl-3H-pyrazol-4-yl]-N-[4-[(3S)-6-methoxy-3H-indol-3-yl]-1,3-thiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)[C@@H]2N=C(NO2)C3=CC4=C(CC=N4)C=C3

DOS

IR

Vibrations