Geometry & MOs

Info

ID:	146693
PubChem CID:	53730878
Reduced:	SN2O3C8H8 (2)
Stoich.:	AB2C3D8E8 (2)
Weight, g/mol:	305.021987
ΔH_f, kcal/mol:	-172.48
Dipole, Da:	10.32
IP(EA), eV:	-9.21(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-anilino-1-chloro-3-oxoprop-1-en-2-yl) dimethyl phosphate

Drug info:

PubChemData

Smile

C1C=C(N2[C@@H](S1)[C@@H](C2=O)NC(=O)C(=CCCC(=O)O)C3=CSC(=N3)N)C(=O)O

DOS

IR

Vibrations