Geometry & MOs

Info

ID:	132447
PubChem CID:	51362969
Reduced:	SN5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	84.1
Dipole, Da:	2.12
IP(EA), eV:	-8.6(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-diethyl-9-hydroxy-3,7-diazabicyclo[3.3.1]nonane-3-carbothioyl)benzamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3=C2C4=NC(=NN4C(=N3)C)NCC=C

DOS

IR

Vibrations