Geometry & MOs

Info

ID:	44621
PubChem CID:	10504511
Reduced:	BrON2S2H17C22 (1)
Stoich.:	ABC2D2E17F22 (1)
Weight, g/mol:	469.163771
ΔH_f, kcal/mol:	70.34
Dipole, Da:	4.35
IP(EA), eV:	-8.68(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (NE)-N-[[(5-hydroxynaphthalen-1-yl)amino]-(phenylmethoxycarbonylamino)methylidene]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SC2=CC3=C(C=C2)NC(=S)CC(=N3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations