Geometry & MOs

Info

ID:	437062
PubChem CID:	135214427
Reduced:	OSN4C10H17 (2)
Stoich.:	ABC4D10E17 (2)
Weight, g/mol:	407.203134
ΔH_f, kcal/mol:	5.79
Dipole, Da:	2.15
IP(EA), eV:	-8.01(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-benzothiophen-2-yl)-2-methylpropan-2-yl]-3-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CN(C)[C@@H](CC1=CC=C(C=C1)O)CNC(=O)NCC/C(=C/NCCSSCCN=[N+]=[N-])/N

DOS

IR

Vibrations