Geometry & MOs

Info

ID:	437260
PubChem CID:	135219473
Reduced:	SC36H58 (1)
Stoich.:	AB36C58 (1)
Weight, g/mol:	145.037508
ΔH_f, kcal/mol:	-21.7
Dipole, Da:	2.01
IP(EA), eV:	-8.75(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxy-3-oxoprop-1-en-2-yl)carbamic acid

Drug info:

PubChemData

Smile

CC1C(C(CC2C1C(C(C2C=C)S)C(CCCC#C)C3CCCCC3)C4CCCCC4)C5CCCCC5

DOS

IR

Vibrations