Geometry & MOs

Info

ID:	438557
PubChem CID:	135228300
Reduced:	N4O4C25H26 (1)
Stoich.:	A4B4C25D26 (1)
Weight, g/mol:	344.151826
ΔH_f, kcal/mol:	82.02
Dipole, Da:	5.76
IP(EA), eV:	-8.28(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[3-aminopropanoyl(methyl)amino]acetyl]amino]-N-[1-(methylsulfanylmethyl)-2-oxocyclopropyl]propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2CC3=C(NN3C4=C(N2C=N1)C=CC(=C4)OC)COC5=C(C=C(C=C5)C)C

DOS

IR

Vibrations