Geometry & MOs

Info

ID:	146535
PubChem CID:	53702122
Reduced:	N4O4S4H12C15 (1)
Stoich.:	A4B4C4D12E15 (1)
Weight, g/mol:	232.219101
ΔH_f, kcal/mol:	-37.59
Dipole, Da:	3.96
IP(EA), eV:	-9.04(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-2-heptylbenzene

Drug info:

PubChemData

Smile

C1C(=C(N2[C@@H](S1)[C@@H](C2=O)NC(=O)CC3=CSC=C3)C(=O)O)SC4=NN=CS4

DOS

IR

Vibrations