Geometry & MOs

Info

ID:	34883
PubChem CID:	7979050
Reduced:	OSN3C18H25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	331.171834
ΔH_f, kcal/mol:	-2.31
Dipole, Da:	3.43
IP(EA), eV:	-8.67(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

CN(C(=S)NCC1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3

DOS

IR

Vibrations