Geometry & MOs

Info

ID:	133850
PubChem CID:	51600633
Reduced:	OSN3C9H16 (2)
Stoich.:	ABC3D9E16 (2)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-98.03
Dipole, Da:	7.53
IP(EA), eV:	-9.18(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(5S,6S)-6-amino-5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl]carbamate

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N[C@](N1)(NCCN[C@@]2(NC(=CC(=O)N2)CCC)SC)SC

DOS

IR

Vibrations