Geometry & MOs

Info

ID:	187365
PubChem CID:	77564547
Reduced:	SO4N8C26H30 (1)
Stoich.:	AB4C8D26E30 (1)
Weight, g/mol:	354.151433
ΔH_f, kcal/mol:	-52.89
Dipole, Da:	12.51
IP(EA), eV:	-8.48(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-phenyl-1-[[4-(thiadiazol-4-yl)phenyl]methylamino]butan-2-ol

Drug info:

PubChemData

Smile

C1COCCN1NC(=O)NC2=CC=CC3=C2C(=O)C4C3NNC4C5=CC=C(S5)NC(=O)CCCC6=NC=CN6

DOS

IR

Vibrations