Geometry & MOs

Info

ID:	340189
PubChem CID:	127262198
Reduced:	F2N2O4C23H26 (1)
Stoich.:	A2B2C4D23E26 (1)
Weight, g/mol:	429.164833
ΔH_f, kcal/mol:	-244.18
Dipole, Da:	4.12
IP(EA), eV:	-9.48(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-5-(carbamoylamino)-2-[(4-nitrophenyl)carbamoyl]-1-phenylpentyl] carbamate

Drug info:

PubChemData

Smile

CC(C)(C[C@H](CC1=CC=CC=C1)C(=O)C(C(=O)NCC2=CC=CC=C2)(F)F)OC(=O)N

DOS

IR

Vibrations