Geometry & MOs

Info

ID:	147178
PubChem CID:	53786831
Reduced:	S2N3O5H21C27 (1)
Stoich.:	A2B3C5D21E27 (1)
Weight, g/mol:	217.11365
ΔH_f, kcal/mol:	-70.38
Dipole, Da:	6.16
IP(EA), eV:	-8.69(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

aniline;ethane;methyl methanesulfinate

Drug info:

PubChemData

Smile

C1C(=C(N2[C@@H](S1)[C@@H](C2=O)NC(=O)CNC3=CC=CC=C3)C(=O)O)SC4=CC5=C(C=C4)C6=CC=CC=C6O5

DOS

IR

Vibrations