Geometry & MOs

Info

ID:	38714
PubChem CID:	8137807
Reduced:	SN3O6C18H21 (1)
Stoich.:	AB3C6D18E21 (1)
Weight, g/mol:	305.094646
ΔH_f, kcal/mol:	-205.32
Dipole, Da:	9.6
IP(EA), eV:	-9.51(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-phenylsulfanylpropanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)CC[C@H](C(=O)NCC(=O)NC1CC1)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations