Geometry & MOs

Info

ID:	390853
PubChem CID:	135001289
Reduced:	BO2C11H21 (2)
Stoich.:	AB2C11D21 (2)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	-378.47
Dipole, Da:	4.16
IP(EA), eV:	-9.05(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-methanethioyl-N-[1-(3-methoxyphenyl)ethyl]carbamate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C/C=C\C(B2OC(C(O2)(C)C)(C)C)CCCCCC

DOS

IR

Vibrations