Geometry & MOs

Info

ID:	61075
PubChem CID:	26705309
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	425.114234
ΔH_f, kcal/mol:	-167.62
Dipole, Da:	8.2
IP(EA), eV:	-9.56(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations