Geometry & MOs

Info

ID:	147397
PubChem CID:	53787053
Reduced:	S3O7N9C20H23 (1)
Stoich.:	A3B7C9D20E23 (1)
Weight, g/mol:	167.040485
ΔH_f, kcal/mol:	-109.56
Dipole, Da:	7.63
IP(EA), eV:	-9.1(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-methylbenzenecarbothioic S-acid

Drug info:

PubChemData

Smile

CC(C)ON=C(C1=CSC(=N1)N)C(=O)NC2[C@H]3N(C2=O)C(=C(CS3)CSC4=NN=NN4CCC(=O)O)C(=O)O

DOS

IR

Vibrations