Geometry & MOs

Info

ID:	402942
PubChem CID:	135057980
Reduced:	BrNSO2C25H42 (1)
Stoich.:	ABCD2E25F42 (1)
Weight, g/mol:	447.215806
ΔH_f, kcal/mol:	-147.74
Dipole, Da:	3.26
IP(EA), eV:	-8.9(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[4-[5-methoxy-2-[(pyridine-2-carbonylamino)methyl]phenyl]butyl]carbamate

Drug info:

PubChemData

Smile

CCCCC[C@H](C1CCCN1S(=O)(=O)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)Br

DOS

IR

Vibrations