Geometry & MOs

Info

ID:	184279
PubChem CID:	77139466
Reduced:	S3O6N8C19H20 (1)
Stoich.:	A3B6C8D19E20 (1)
Weight, g/mol:	448.279804
ΔH_f, kcal/mol:	-29.86
Dipole, Da:	9.67
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-5-(diaminomethylideneamino)-N-[1-(diethylamino)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pentanamide

Drug info:

PubChemData

Smile

CCON=C(C1=NSC(=N1)N)C(=O)NC2C3COC(=C(N3C2=O)C(=O)OCC=C)CSC4=NN=CS4

DOS

IR

Vibrations