Geometry & MOs

Info

ID:	176596
PubChem CID:	76070366
Reduced:	S3O5N10C20H26 (1)
Stoich.:	A3B5C10D20E26 (1)
Weight, g/mol:	379.217885
ΔH_f, kcal/mol:	-36.41
Dipole, Da:	6.24
IP(EA), eV:	-9.42(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCN1C(CC(=NC1=N)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOCC)C4=NSC(=N4)N)SC2)C(=O)O)N

DOS

IR

Vibrations