Geometry & MOs

Info

ID:	44909
PubChem CID:	10506467
Reduced:	ClOS2N5H24C27 (1)
Stoich.:	ABC2D5E24F27 (1)
Weight, g/mol:	535.283617
ΔH_f, kcal/mol:	90.63
Dipole, Da:	4.35
IP(EA), eV:	-8.93(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-[propyl-[(E)-3-tributylstannylprop-2-enyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol

Drug info:

PubChemData

Smile

CC1C(=O)N=C(S1)N/N=C(\C)/C2=C(C3=C(C4=C(CCCC4)N=C3S2)C5=CC=C(C=C5)Cl)N6C=CC=C6

DOS

IR

Vibrations