Geometry & MOs

Info

ID:	127964
PubChem CID:	51025032
Reduced:	NO5C35H43 (1)
Stoich.:	AB5C35D43 (1)
Weight, g/mol:	350.123504
ΔH_f, kcal/mol:	-183.42
Dipole, Da:	2.94
IP(EA), eV:	-8.97(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(3-methoxyphenyl)carbamothioylamino]thiourea

Drug info:

PubChemData

Smile

CC1=CCC[C@@]2([C@H](CC[C@]23CN(C(=O)O3)C[C@@H]4CCCO4)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=CC=C6)C

DOS

IR

Vibrations