Geometry & MOs

Info

ID:	438601
PubChem CID:	135228345
Reduced:	N4O5C33H54 (1)
Stoich.:	A4B5C33D54 (1)
Weight, g/mol:	398.325691
ΔH_f, kcal/mol:	-270.41
Dipole, Da:	9.61
IP(EA), eV:	-9.07(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R)-6-butyl-1-(carbamoylamino)-5-oxodecan-4-yl]-3-methyl-2-(methylamino)butanamide

Drug info:

PubChemData

Smile

CC[C@H](C)C([C@@H](CC(=O)N1CCC[C@H]1C[C@@H](C)C(=O)NCCC2=CC=CC=C2)OC)N(C)C(=O)CNC(=O)CC(C)C

DOS

IR

Vibrations