Geometry & MOs

Info

ID:	146567
PubChem CID:	53705935
Reduced:	S2O3N4C25H44 (1)
Stoich.:	A2B3C4D25E44 (1)
Weight, g/mol:	346.192629
ΔH_f, kcal/mol:	-140.6
Dipole, Da:	3.75
IP(EA), eV:	-8.65(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,5-dimethylthian-4-yl)-2-methylpropan-2-yl] N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](CN(CC1=CC=CC=C1)[C@H](C)C(=O)N[C@@H](CCSC)C(=O)OC)NC[C@H](CS)N

DOS

IR

Vibrations