Geometry & MOs

Info

ID:	412737
PubChem CID:	135085651
Reduced:	BrS2O3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	457.225308
ΔH_f, kcal/mol:	-111.78
Dipole, Da:	4.33
IP(EA), eV:	-8.88(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-formyl-N-(1-trityloxybut-3-en-2-yl)carbamate

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=C(SC(=C1Br)C)C(=O)C

DOS

IR

Vibrations