Geometry & MOs

Info

ID:	235315
PubChem CID:	92309397
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-74.88
Dipole, Da:	6.72
IP(EA), eV:	-8.86(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-4-(5-methylindazol-1-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=O)NC2=NN=C(S2)N3CCC[C@H](C3)C

DOS

IR

Vibrations