Geometry & MOs

Info

ID:	23209
PubChem CID:	602775
Reduced:	OSN5H17C18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	351.115381
ΔH_f, kcal/mol:	59.42
Dipole, Da:	6.71
IP(EA), eV:	-8.91(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzhydryl-2-(diaminomethylideneamino)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CSC(=N3)N=C(N)N

DOS

IR

Vibrations