Geometry & MOs

Info

ID:	357214
PubChem CID:	127293718
Reduced:	N2O5C22H24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-173.15
Dipole, Da:	8.43
IP(EA), eV:	-8.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropylmethyl)piperidin-4-yl]-4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)N4CCOCC4)O)C

DOS

IR

Vibrations