Geometry & MOs

Info

ID:	435964
PubChem CID:	135193047
Reduced:	NSC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	422.239185
ΔH_f, kcal/mol:	-8.94
Dipole, Da:	0.84
IP(EA), eV:	-8.26(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(2,3,5a,9a-tetrahydrophenoxazin-10-yl)-N-(4-methylphenyl)sulfanylheptan-1-amine

Drug info:

PubChemData

Smile

CCCCCCCNSC1=CC=C(C=C1)C

DOS

IR

Vibrations