Geometry & MOs

Info

ID:	36451
PubChem CID:	8006994
Reduced:	ClSN3O4C18H18 (1)
Stoich.:	ABC3D4E18F18 (1)
Weight, g/mol:	313.165108
ΔH_f, kcal/mol:	-116.99
Dipole, Da:	2.96
IP(EA), eV:	-9.47(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations