Geometry & MOs

Info

ID:	144451
PubChem CID:	53369924
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	277.023121
ΔH_f, kcal/mol:	-10.03
Dipole, Da:	5.04
IP(EA), eV:	-8.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-hydroxyphenyl)-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)NC2=C(C(=O)C2=O)NCCN(C)C

DOS

IR

Vibrations