Geometry & MOs

Info

ID:	235664
PubChem CID:	92710347
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-129.56
Dipole, Da:	4.87
IP(EA), eV:	-9.43(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(3S)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)N1CCC2(CC1)NC(=O)C3=CC=CC=C3O2

DOS

IR

Vibrations