Geometry & MOs

Info

ID:	32367
PubChem CID:	6436734
Reduced:	S3N6O9C20H22 (2)
Stoich.:	A3B6C9D20E22 (2)
Weight, g/mol:	222.093918
ΔH_f, kcal/mol:	-554.35
Dipole, Da:	3.63
IP(EA), eV:	-9.13(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea

Drug info:

Smile

CCN(CC)C1=NC(=NC(=N1)NC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)N(CC)CC)NC6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations