Geometry & MOs

Info

ID:	299217
PubChem CID:	117681427
Reduced:	FO2N4C23H33 (2)
Stoich.:	AB2C4D23E33 (2)
Weight, g/mol:	233.137556
ΔH_f, kcal/mol:	-295.9
Dipole, Da:	6.26
IP(EA), eV:	-8.62(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R)-1-amino-2-[methoxy(methyl)amino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](CC(CCCN)C1=NC2=C(N1)C=CC3=C2C=CC(=C3)C4=CC5=C(C=C4)N=C(N5)C(C[C@H](C(C)C)NC(=O)OC(C)(C)C)CC(CN)(F)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations