Geometry & MOs

Info

ID:	221249
PubChem CID:	85261691
Reduced:	NSSiO5C30H39 (1)
Stoich.:	ABCD5E30F39 (1)
Weight, g/mol:	404.180818
ΔH_f, kcal/mol:	-212.84
Dipole, Da:	2.13
IP(EA), eV:	-9.01(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[3-[[4-(diaminomethylideneamino)benzoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]acetate

Drug info:

PubChemData

Smile

CC1(OCC(O1)C2C(OC(O2)(C)C)C(C3=NC=CS3)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)C

DOS

IR

Vibrations