Geometry & MOs

Info

ID:	149597
PubChem CID:	53789271
Reduced:	N3C18H25 (2)
Stoich.:	A3B18C25 (2)
Weight, g/mol:	167.025229
ΔH_f, kcal/mol:	64.65
Dipole, Da:	4.33
IP(EA), eV:	-7.37(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propylsulfonylcarbamic acid

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=C(C(=C(N5)C=C1N2)C)CCCCN)N4)CCCCN)C)C)CC)C

DOS

IR

Vibrations