Geometry & MOs

Info

ID:	327961
PubChem CID:	126691533
Reduced:	N3S3O13C38H45 (1)
Stoich.:	A3B3C13D38E45 (1)
Weight, g/mol:	113.095297
ΔH_f, kcal/mol:	-409.51
Dipole, Da:	9.2
IP(EA), eV:	-8.4(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-(methylamino)ethenyl]ethanimidamide

Drug info:

PubChemData

Smile

C1CC2=CC3=C(C4=C(C=C5C(=C4)CCCN5CCCS(=O)(=O)O)OC3C=C2N(C1)CCCS(=O)(=O)O)C6=C(C=C(C=C6)S(=O)(=O)O)C(=O)N7CCC(CC7)C(=O)O

DOS

IR

Vibrations