Geometry & MOs

Info

ID:	442845
PubChem CID:	135256538
Reduced:	N4O7C27H32 (1)
Stoich.:	A4B7C27D32 (1)
Weight, g/mol:	287.228286
ΔH_f, kcal/mol:	-257.92
Dipole, Da:	5.46
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-sulfanyl-N-undecylbutanamide

Drug info:

PubChemData

Smile

C[C@@H]1/C=C/C[C@@H](C2=NC3=C(C(=C2)C4=C(C=C(C=C4)NC(=O)OC)NC1=O)OCCO3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations