Geometry & MOs

Info

ID:	351127
PubChem CID:	127279685
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	380.122835
ΔH_f, kcal/mol:	-129.42
Dipole, Da:	2.91
IP(EA), eV:	-9.28(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-6-yl)-2-cyclohexylsulfonyl-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1CCN(CC1)C(=O)C2=CC3=C(S2)CCOC3

DOS

IR

Vibrations