Geometry & MOs

Info

ID:	435646
PubChem CID:	135192053
Reduced:	ClO2N5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-22.41
Dipole, Da:	9.29
IP(EA), eV:	-8.42(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-phenylethanimidoyl) 2-[[(3S,6Z,7E)-6,7-di(ethylidene)-2-oxoazepan-3-yl]amino]-2-oxoethanimidate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NC(=NN2)C(=O)N[C@@H](CCC3=C(C=C(C=C3)Cl)N)C(=O)C

DOS

IR

Vibrations