Geometry & MOs

Info

ID:	42167
PubChem CID:	8149261
Reduced:	SO2N4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	381.174908
ΔH_f, kcal/mol:	-54.42
Dipole, Da:	2.69
IP(EA), eV:	-8.28(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine

Drug info:

PubChemData

Smile

CC[C@@H](C)CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C4=CC=C(C=C4)O)C

DOS

IR

Vibrations