Geometry & MOs

Info

ID:	359743
PubChem CID:	127299690
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-88.15
Dipole, Da:	8.14
IP(EA), eV:	-8.46(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C(=O)N2)C(=O)N3CCCSCC3

DOS

IR

Vibrations