Geometry & MOs

Info

ID:	28777
PubChem CID:	829575
Reduced:	NS2H17C20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	319.103085
ΔH_f, kcal/mol:	86.26
Dipole, Da:	2.79
IP(EA), eV:	-8.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(furan-2-yl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S[C@@H](C2)C4=CC=CS4

DOS

IR

Vibrations