Geometry & MOs

Info

ID:	336853
PubChem CID:	127255860
Reduced:	S2O5C14H14 (1)
Stoich.:	A2B5C14D14 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-126.86
Dipole, Da:	7.49
IP(EA), eV:	-8.44(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-(methoxymethylcarbamoyl)phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1COC2=CSC=C2O1.C1=CC=C(C=C1)/C=C/S(=O)(=O)O

DOS

IR

Vibrations